EVODEX.1-P6786 - Partial Reaction

SMIRKS

[H]O[C:81](=[O:80])[C:83]([C:84]1:[C:85]([H:147]):[C:86]([H:148]):[C:87]([H:149]):[C:88]2:[C:89]([H:150]):[C:90]([H:151]):[C:91]([H:152]):[C:92]([H:153]):[C:93]:1:2)([H:154])[H:155]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84]2:[C:85]([H:147]):[C:86]([H:148]):[C:87]([H:149]):[C:88]3:[C:89]([H:150]):[C:90]([H:151]):[C:91]([H:152]):[C:92]([H:153]):[C:93]:2:3)([H:154])[H:155])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

Derived Operators

EVODEX.1-F119 - Elemental Balance

P	3
O	15
C	21
S	1
N	7
H	34

EVODEX.1-M110 - Mass Difference

749.10492

EVODEX.1-E745 - Reaction Operator E

[#6:84]-[#6:86](=[#8:87])-[#8]-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:86](-[#6:84])=[#8:87])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C130 - Reaction Operator C

[H]-[#8]-[#6:57]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:57])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2

EVODEX.1-N53 - Reaction Operator N

[H]-[#8]-[#6:57](-[#6:56])=[#8:58]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:57](-[#6:56])=[#8:58])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2

EVODEX.1-Em578 - Reaction Operator Em

[H]-[#8]-[#6:57](-[#6:56])=[#8:58]>>[#6]-[#16]-[#6:57](-[#6:56])=[#8:58]

EVODEX.1-Cm102 - Reaction Operator Cm

[#8]-[#6:57]>>[#16]-[#6:57]

EVODEX.1-Nm144 - Reaction Operator Nm

[H]-[#8]-[#6:57](-[#6:56])=[#8:58]>>[#6]-[#16]-[#6:57](-[#6:56])=[#8:58]

Source Full Reactions

EVODEX.1-R7341

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:127])([H:128])[H:129])([C:3]([H:94])([H:95])[H:96])[C:4]([O:5][P:6](=[O:7])([O:8][H:97])[O:9][P:10](=[O:11])([O:12][H:98])[O:13][C:14]([C@@:15]1([H:99])[O:16][C@:17]([N:18]2:[C:19]([H:100]):[N:20]:[C:21]3:[C:22]([N:23]([H:101])[H:102]):[N:24]:[C:25]([H:103]):[N:26]:[C:27]:2:3)([H:104])[C@@:28]([O:29][H:105])([H:106])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:107])[O:35][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([O:37][H:114])[H:126])=[O:39])[H:125])([H:123])[H:124])([H:121])[H:122])=[O:44])[H:120])([H:118])[H:119])([H:116])[H:117].[N:49]([C:50]1:[N:51]:[C:52]([H:130]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:131]):[N:58]:2[C@:59]1([H:132])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:133])[O:67][P:68](=[O:69])([O:70][H:134])[O:71][P:72](=[O:73])([O:74][H:135])[O:75][H:136])([H:137])[H:138])([H:139])[C@:76]([O:77][H:140])([H:141])[C@:78]1([O:79][H:142])[H:143])([H:144])[H:145].[O:80]=[C:81]([O:82][H:146])[C:83]([C:84]1:[C:85]([H:147]):[C:86]([H:148]):[C:87]([H:149]):[C:88]2:[C:89]([H:150]):[C:90]([H:151]):[C:91]([H:152]):[C:92]([H:153]):[C:93]:1:2)([H:154])[H:155]>>[C:1]([C:2]([C:3]([H:94])([H:95])[H:96])([C:4]([O:5][P:6](=[O:7])([O:8][H:97])[O:9][P:10](=[O:11])([O:12][H:98])[O:13][C:14]([C@@:15]1([H:99])[O:16][C@:17]([N:18]2:[C:19]([H:100]):[N:20]:[C:21]3:[C:22]([N:23]([H:101])[H:102]):[N:24]:[C:25]([H:103]):[N:26]:[C:27]:2:3)([H:104])[C@@:28]([O:29][H:105])([H:106])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:107])[O:35][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[C@@:36]([O:37][H:114])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:81](=[O:80])[C:83]([C:84]1:[C:85]([H:147]):[C:86]([H:148]):[C:87]([H:149]):[C:88]2:[C:89]([H:150]):[C:90]([H:151]):[C:91]([H:152]):[C:92]([H:153]):[C:93]:1:2)([H:154])[H:155])([H:116])[H:117])([H:118])[H:119])[H:120])([H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])([H:128])[H:129].[N:49]([C:50]1:[N:51]:[C:52]([H:130]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:131]):[N:58]:2[C@:59]1([H:132])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:133])[O:82][H:146])([H:137])[H:138])([H:139])[C@:76]([O:77][H:140])([H:141])[C@:78]1([O:79][H:142])[H:143])([H:144])[H:145].[H][O:67][P:68](=[O:69])([O:70][H:134])[O:71][P:72](=[O:73])([O:74][H:135])[O:75][H:136]